N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

C17H20F3N3O2 — CID 97123742

IUPACN-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NC[C@H](O)c2ccccc2C(F)(F)F)n(C)n1
InChIInChI=1S/C17H20F3N3O2/c1-10(2)13-8-14(23(3)22-13)16(25)21-9-15(24)11-6-4-5-7-12(11)17(18,19)20/h4-8,10,15,24H,9H2,1-3H3,(H,21,25)/t15-/m0/s1
InChIKeyMVNACTVTHLOZCS-HNNXBMFYSA-N
MW355.36 g/mol
LogP3.03
Rot. Bonds5

About N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 97123742) has the molecular formula C17H20F3N3O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID97123742
Molecular FormulaC17H20F3N3O2
Molecular Weight355.36 g/mol
Exact Mass355.15
IUPAC NameN-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NC[C@H](O)c2ccccc2C(F)(F)F)n(C)n1
InChIInChI=1S/C17H20F3N3O2/c1-10(2)13-8-14(23(3)22-13)16(25)21-9-15(24)11-6-4-5-7-12(11)17(18,19)20/h4-8,10,15,24H,9H2,1-3H3,(H,21,25)/t15-/m0/s1
InChIKeyMVNACTVTHLOZCS-HNNXBMFYSA-N
XLogP3.03
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3N-methyl-5N-(4-oxidanylcyclohexyl)-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
CID 142417949
4-[(1~{R})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid
CID 138756829
1-(3-(aminomethyl)phenyl)-N-(2-fluoro-3-(hydroxy(phenyl)methyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 118355965
1-(3-(aminomethyl)phenyl)-N-(2-fluoro-5-(hydroxy(phenyl)methyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 126665740
5-N-(1-hydroxypropan-2-yl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
CID 142418047
5-N-(4-hydroxycyclohexyl)-3-N-methyl-1-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-3,5-dicarboxamide
CID 142418227
5-N-(4-hydroxycyclohexyl)-3-N-methyl-1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-3,5-dicarboxamide
CID 147449651
5-N-(4-hydroxycyclohexyl)-3-N-methyl-1-[(1S)-1-phenylpropyl]pyrazole-3,5-dicarboxamide
CID 153297970
1-[(1R)-2-hydroxy-1-phenylethyl]-5-N-(4-methoxycyclohexyl)-3-N-methylpyrazole-3,5-dicarboxamide
CID 153297983
4-[1-[[(1-methyl-3-phenyl-1H-pyrazol-5-yl)carbonyl]amino]ethyl]Benzoic acid
CID 155538389
5-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide
CID 162668533
2-[3-(aminomethyl)phenyl]-N-[3-[hydroxy(phenyl)methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 126689238

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (CID 97123742) is N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is CC(C)c1cc(C(=O)NC[C@H](O)c2ccccc2C(F)(F)F)n(C)n1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is MVNACTVTHLOZCS-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20F3N3O2/c1-10(2)13-8-14(23(3)22-13)16(25)21-9-15(24)11-6-4-5-7-12(11)17(18,19)20/h4-8,10,15,24H,9H2,1-3H3,(H,21,25)/t15-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 355.36 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 97123742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).